4-(propylamino)-1-(3-propylphenyl)cyclohexan-1-ol

C18H29NO — CID 116546270

IUPAC4-(propylamino)-1-(3-propylphenyl)cyclohexan-1-ol
SMILESCCCNC1CCC(O)(c2cccc(CCC)c2)CC1
InChIInChI=1S/C18H29NO/c1-3-6-15-7-5-8-16(14-15)18(20)11-9-17(10-12-18)19-13-4-2/h5,7-8,14,17,19-20H,3-4,6,9-13H2,1-2H3
InChIKeyHXGHJZUUGUCLAK-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.77
Rot. Bonds6

About 4-(propylamino)-1-(3-propylphenyl)cyclohexan-1-ol

4-(propylamino)-1-(3-propylphenyl)cyclohexan-1-ol (PubChem CID 116546270) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 4-(propylamino)-1-(3-propylphenyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(propylamino)-1-(3-propylphenyl)cyclohexan-1-ol
PubChem CID116546270
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name4-(propylamino)-1-(3-propylphenyl)cyclohexan-1-ol
SMILESCCCNC1CCC(O)(c2cccc(CCC)c2)CC1
InChIInChI=1S/C18H29NO/c1-3-6-15-7-5-8-16(14-15)18(20)11-9-17(10-12-18)19-13-4-2/h5,7-8,14,17,19-20H,3-4,6,9-13H2,1-2H3
InChIKeyHXGHJZUUGUCLAK-UHFFFAOYSA-N
XLogP3.77
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-1-(3-propylphenyl)cyclohexan-1-ol
CID 116542251
3-amino-1-(3-propylphenyl)cyclobutan-1-ol
CID 116542728
4,4-diphenyl-N-propylcyclohexan-1-amine
CID 154370118
3-(3-ethylphenyl)-3-methyl-N-propylcyclopentan-1-amine
CID 116539851
2-methyl-1-(3-propylphenyl)cyclopentan-1-ol
CID 116542607
3,3-dimethyl-1-(3-propylphenyl)cyclohexan-1-ol
CID 116542580
1-(7-methyl-1-benzofuran-2-yl)-4-(propylamino)cyclohexan-1-ol
CID 114735091
1-(3,4-dihydro-2H-chromen-8-yl)-4-(propylamino)cyclohexan-1-ol
CID 114747425
3-methyl-3-[3-(2-methylpropyl)phenyl]-N-propylcyclopentan-1-amine
CID 116545842
1-(3-bromo-2,6-difluorophenyl)-4-(propylamino)cyclohexan-1-ol
CID 106943803
1-(2-methoxy-4,6-dimethylphenyl)-4-(propylamino)cyclohexan-1-ol
CID 106681534
4-propan-2-yl-1-(3-propylphenyl)cyclohexan-1-amine
CID 116542991

Frequently Asked Questions

What is the IUPAC name of 4-(propylamino)-1-(3-propylphenyl)cyclohexan-1-ol?
The IUPAC name of 4-(propylamino)-1-(3-propylphenyl)cyclohexan-1-ol (CID 116546270) is 4-(propylamino)-1-(3-propylphenyl)cyclohexan-1-ol.
What is the SMILES notation for 4-(propylamino)-1-(3-propylphenyl)cyclohexan-1-ol?
The canonical SMILES for 4-(propylamino)-1-(3-propylphenyl)cyclohexan-1-ol is CCCNC1CCC(O)(c2cccc(CCC)c2)CC1.
What is the InChIKey of 4-(propylamino)-1-(3-propylphenyl)cyclohexan-1-ol?
The InChIKey is HXGHJZUUGUCLAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-3-6-15-7-5-8-16(14-15)18(20)11-9-17(10-12-18)19-13-4-2/h5,7-8,14,17,19-20H,3-4,6,9-13H2,1-2H3.
What are the key properties of 4-(propylamino)-1-(3-propylphenyl)cyclohexan-1-ol?
4-(propylamino)-1-(3-propylphenyl)cyclohexan-1-ol has a molecular weight of 275.44 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propylamino)-1-(3-propylphenyl)cyclohexan-1-ol is sourced from PubChem (CID 116546270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).